Geometry & MOs

Info

ID:

432725

PubChem CID:

135172862

Reduced:

SN5O8C39H65 (1)

Stoich.:

AB5C8D39E65 (1)

Weight, g/mol:

1021.613994

ΔHf, kcal/mol:

-361.32

Dipole, Da:

5.47

IP(EA), eV:

 -9.12(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3R)-3-[(1S,3S,5S)-2-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](CC2C1[C@H]2C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CS3)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations